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	hartrees
Energy at 0K	-5225.810382
Energy at 298.15K	-5225.818018
HF Energy	-5225.810382
Nuclear repulsion energy	428.589009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3099	0.10
2	A₁	1642	1579	33.96
3	A₁	1176	1131	1.45
4	A₁	597	574	7.86
5	A₁	106	102	0.04
6	A₂	906	872	0.00
7	A₂	387	373	0.00
8	B₁	688	661	61.98
9	B₂	3201	3078	17.16
10	B₂	1282	1233	43.88
11	B₂	769	740	65.41
12	B₂	481	463	2.36

Atom	y (Å)	z (Å)
C1	0.661	1.241
C2	-0.661	1.241
Br3	1.760	-0.275
Br4	-1.760	-0.275
H5	1.210	2.173
H6	-1.210	2.173

	C1	C2	Br3	Br4	H5	H6
C1		1.3227	1.8725	2.8568	1.0811	2.0904
C2	1.3227		2.8568	1.8725	2.0904	1.0811
Br3	1.8725	2.8568		3.5197	2.5089	3.8487
Br4	2.8568	1.8725	3.5197		3.8487	2.5089
H5	1.0811	2.0904	2.5089	3.8487		2.4201
H6	2.0904	1.0811	3.8487	2.5089	2.4201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.921	C1	C2	H6	120.500
C2	C1	Br3	125.921	C2	C1	H5	120.500
Br3	C1	H5	113.579	Br4	C2	H6	113.579

All results from a given calculation for CHBrCHBr (Ethene, 1,2-dibromo-, (Z)-)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.141
2	C	-0.141
3	Br	-0.009
4	Br	-0.009
5	H	0.150
6	H	0.150

	x	y	z	Total
	0.000	0.000	1.672	1.672
CHELPG
AIM
ESP

<r²>	287.534
(<r²>)^1/2	16.957